기본 정보
- CAS
438616-72-9- 표준 SMILES
CCN(CC)C(=O)c1sc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)c(C(=O)OC(C)C)c1C- InChIKey
USTJSFDSLAZCTQ-UHFFFAOYSA-N- 분자식
- C31H33N3O4S
- 평균 분자량
- 543.7 g/mol
이름 및 식별자
- 우선 이름
- Isopropyl 5-[(diethylamino)carbonyl]-4-methyl-2-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate
- IUPAC
- propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
- 영어명
- isopropyl 5-[(diethylamino)carbonyl]-4-methyl-2-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate
- 분자식
- C31H33N3O4S
- 분자량
- 543.67642
이름 및 동의어
isopropyl 5-[(diethylamino)carbonyl]-4-methyl-2-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylateOprea1_243080STK418229AKOS003297926propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylateAK-968/12344420ISOPROPYL 5-[(DIETHYLAMINO)CARBONYL]-4-METHYL-2-({[2-(3-METHYLPHENYL)-4-QUINOLYL]CARBONYL}AMINO)-3-THIOPHENECARBOXYLATEpropan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)thiophene-3-carboxylate
데이터베이스 식별자
- CAS
438616-72-9
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 865
화학 및 산업
공급사1 곳
SPECS[email protected]
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